2-amino-4-(1H-pyrrol-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

HCID 4476397

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Basic information

CAS: 578762-43-3
Standard SMILES: N#Cc1c(N)nc2c(c1-c1ccc[nH]1)CCC2
InChIKey: ASMSWKAUAXLHDU-UHFFFAOYSA-N
Molecular formula: C13H12N4
Average molar mass: 224.26 g/mol
Monoisotopic mass: 224.1061964

Names & identifiers

Preferred name: 2-amino-4-(1H-pyrrol-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
IUPAC: 2-amino-4-(1H-pyrrol-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
English name: 5H-Cyclopenta[b]pyridine-3-carbonitrile,2-amino-6,7-dihydro-4-(1H-pyrrol-2-yl)-(9CI)
Molecular formula: C13H12N4
Molecular weight: 224.26

Names & synonyms

578762-43-32-amino-4-(1H-pyrrol-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrileDTXSID10403629DB-3253325H-CYCLOPENTA[B]PYRIDINE-3-CARBONITRILE, 2-AMINO-6,7-DIHYDRO-4-(1H-PYRROL-2-YL)-2-AMINO-6,7-DIHYDRO-4-(1H-PYRROL-2-YL)-5H-CYCLOPENTA[B]PYRIDINE-3-CARBONITRILE5H-Cyclopenta[b]pyridine-3-carbonitrile,2-amino-6,7-dihydro-4-(1H-pyrrol-2-yl)-(9CI)

Database identifiers

CAS: 578762-43-3
PubChem CID: 4476397
DTXSID: DTXSID10403629

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 78.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 334

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